# generated using pymatgen data_Mg2As2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78271541 _cell_length_b 5.37908142 _cell_length_c 5.37908066 _cell_angle_alpha 105.27048425 _cell_angle_beta 97.86248872 _cell_angle_gamma 97.86250016 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2As2O7 _chemical_formula_sum 'Mg2 As2 O7' _cell_volume 130.06396334 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 0.50000000 0.68889494 0.31110506 1.0 Mg Mg1 1 0.50000000 0.31110506 0.68889494 1.0 As As2 1 0.09943376 0.76374496 0.76374496 1.0 As As3 1 0.90056624 0.23625504 0.23625504 1.0 O O4 1 0.29129552 0.93025739 0.60069499 1.0 O O5 1 0.70870348 0.39930501 0.06974261 1.0 O O6 1 0.70870348 0.06974261 0.39930501 1.0 O O7 1 0.29129652 0.60069499 0.93025739 1.0 O O8 1 -0.00000000 0.00000000 0.00000000 1.0 O O9 1 0.77421232 0.59551926 0.59551926 1.0 O O10 1 0.22578768 0.40448074 0.40448074 1.0